methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate

C18H21ClN4O2 — CID 133460208

IUPACmethyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
SMILESCCc1c(Cl)nc(C)nc1NCc1ccc(C(=O)OC)c(C2CC2)n1
InChIInChI=1S/C18H21ClN4O2/c1-4-13-16(19)21-10(2)22-17(13)20-9-12-7-8-14(18(24)25-3)15(23-12)11-5-6-11/h7-8,11H,4-6,9H2,1-3H3,(H,20,21,22)
InChIKeyMIWKDYWVKINMMR-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.67
Rot. Bonds6

About methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate

methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate (PubChem CID 133460208) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
PubChem CID133460208
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Namemethyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
SMILESCCc1c(Cl)nc(C)nc1NCc1ccc(C(=O)OC)c(C2CC2)n1
InChIInChI=1S/C18H21ClN4O2/c1-4-13-16(19)21-10(2)22-17(13)20-9-12-7-8-14(18(24)25-3)15(23-12)11-5-6-11/h7-8,11H,4-6,9H2,1-3H3,(H,20,21,22)
InChIKeyMIWKDYWVKINMMR-UHFFFAOYSA-N
XLogP3.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460264
methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460115
methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460299
methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
CID 133460162
methyl 6-[[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460205
methyl 6-[(4-chloro-2-nitroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460127
methyl 6-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460213
methyl 6-[(2-cyano-3-fluoroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460298
methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 75475369
methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate
CID 133460200
methyl 2-cyclopropyl-6-[(2-methyl-6-nitroanilino)methyl]pyridine-3-carboxylate
CID 133460163
methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460234

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate (CID 133460208) is methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate is CCc1c(Cl)nc(C)nc1NCc1ccc(C(=O)OC)c(C2CC2)n1.
What is the InChIKey of methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
The InChIKey is MIWKDYWVKINMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-4-13-16(19)21-10(2)22-17(13)20-9-12-7-8-14(18(24)25-3)15(23-12)11-5-6-11/h7-8,11H,4-6,9H2,1-3H3,(H,20,21,22).
What are the key properties of methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate has a molecular weight of 360.85 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate is sourced from PubChem (CID 133460208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).